SCHEMBL25825922

SCHEMBL25825922

CCOC(=O)c1ccc2c(c1)nc(NC(=O)c1cc(C)nn1CC)n2CCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 16/20 0.64
TBK1 Q9UHD2 1/20 0.64
ENPP1 P22413 2/20 0.48
ALDH1A1 P00352 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25427682 0.92 STING1 (0.59) STING1TBK1ENPP1ALDH1A1
SCHEMBL25827821 0.87 STING1 (0.64) STING1ENPP1
SCHEMBL30581460 0.85 ENPP1 (0.66) STING1TBK1ENPP1
SCHEMBL25255363 0.85 ENPP1 (0.66) STING1TBK1ENPP1
SCHEMBL25827317 0.82 STING1 (0.79) STING1TBK1ENPP1
SCHEMBL19437618 0.81 STING1 (0.82) STING1TBK1
SCHEMBL25827345 0.81 STING1 (0.72) STING1TBK1ENPP1
SCHEMBL25427705 0.81 ENPP1 (0.68) STING1ENPP1
SCHEMBL25427653 0.80 STING1 (0.77) STING1TBK1ENPP1
SCHEMBL19451762 0.80 STING1 (0.93) STING1TBK1ENPP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444544-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2023-07-18 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed